Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride
TL;DR: Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride (CAS 130623-24-4) is a chemical compound with molecular formula C11H13ClN4O3S and molecular weight 316.0397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-amino-3-nitrophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrochloride
Also Known As: Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride, 4-(2-methylamino-ethyl)-phenol,hydrochloride, Acetophenone, 4'-amino-2-(2-imidazolin-2-ylthio) 3'-nitro-, monohydrochloride, 1-(4-Amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)ethanone monohydrochloride, 1-(4-amino-3-nitro-phenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone hydrochloride
Technical Specifications
| Molecular Formula | C11H13ClN4O3S |
| Molecular Weight | 316.0397 g/mol |
| XLogP | 1.4739 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0397 Da |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
| SMILES | C1CN=C(N1)SCC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-].Cl |
| InChIKey | IOFAVGYNRUISOZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride
Property Insights of Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride
The XLogP value of 1.4739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride. Following Lipinski's Rule of Five, Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride?
The CAS number of Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is 130623-24-4.
What is the molecular formula of Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride?
The molecular formula of Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is C11H13ClN4O3S.
What is the molecular weight of Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride?
The molecular weight of Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is 316.0397 g/mol.
Where can I buy Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride?
You can request a quote for Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for Ethanone, 1-(4-amino-3-nitrophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.